Learning stochastic dynamics and predicting emergent behavior using transformers.


Journal

Nature communications
ISSN: 2041-1723
Titre abrégé: Nat Commun
Pays: England
ID NLM: 101528555

Informations de publication

Date de publication:
29 Feb 2024
Historique:
received: 15 03 2022
accepted: 31 01 2024
medline: 1 3 2024
pubmed: 1 3 2024
entrez: 29 2 2024
Statut: epublish

Résumé

We show that a neural network originally designed for language processing can learn the dynamical rules of a stochastic system by observation of a single dynamical trajectory of the system, and can accurately predict its emergent behavior under conditions not observed during training. We consider a lattice model of active matter undergoing continuous-time Monte Carlo dynamics, simulated at a density at which its steady state comprises small, dispersed clusters. We train a neural network called a transformer on a single trajectory of the model. The transformer, which we show has the capacity to represent dynamical rules that are numerous and nonlocal, learns that the dynamics of this model consists of a small number of processes. Forward-propagated trajectories of the trained transformer, at densities not encountered during training, exhibit motility-induced phase separation and so predict the existence of a nonequilibrium phase transition. Transformers have the flexibility to learn dynamical rules from observation without explicit enumeration of rates or coarse-graining of configuration space, and so the procedure used here can be applied to a wide range of physical systems, including those with large and complex dynamical generators.

Identifiants

pubmed: 38424071
doi: 10.1038/s41467-024-45629-w
pii: 10.1038/s41467-024-45629-w
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

1875

Subventions

Organisme : Fonds Wetenschappelijk Onderzoek (Research Foundation Flanders)
ID : V426923N
Organisme : DOE | SC | Basic Energy Sciences (BES)
ID : DE-AC02-05CH11231
Organisme : DOE | Office of Science (SC)
ID : DE-AC02-05CH11231
Organisme : DOE | SC | Basic Energy Sciences (BES)
ID : DE-AC02-05CH11231
Organisme : DOE | Office of Science (SC)
ID : DE-AC02-05CH11231

Informations de copyright

© 2024. The Author(s).

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Auteurs

Corneel Casert (C)

Molecular Foundry, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720, USA. ccasert@lbl.gov.
Department of Physics and Astronomy, Ghent University, 9000, Ghent, Belgium. ccasert@lbl.gov.

Isaac Tamblyn (I)

Cash App, Block, Toronto, ON, M5A 1J7, Canada. isaac.tamblyn@uottawa.ca.
Vector Institute for Artificial Intelligence, Toronto, ON, M5G 1M1, Canada. isaac.tamblyn@uottawa.ca.
Department of Physics, University of Ottawa, Ottawa, ON, K1N 6N5, Canada. isaac.tamblyn@uottawa.ca.

Stephen Whitelam (S)

Molecular Foundry, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720, USA. swhitelam@lbl.gov.

Classifications MeSH